2DM5
 
 | | Thermodynamic Penalty Arising From Burial of a Ligand Polar Group Within a Hydrophobic Pocket of a Protein Receptor | | Descriptor: | CADMIUM ION, Major Urinary Protein, OCTANE-1,8-DIOL | | Authors: | Barratt, E, Bronowska, A, Vondrasek, J, Bingham, R, Phillips, S, Homans, S.W. | | Deposit date: | 2006-04-20 | | Release date: | 2006-10-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Thermodynamic penalty arising from burial of a ligand polar group within a hydrophobic pocket of a protein receptor
J.Mol.Biol., 362, 2006
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3WJC
 | | Crystal structure of mutant nitrobindin M75L/H76L/Q96C/M148L/H158L covalently linked with [Rh(Cp-Mal)(COD)] (NB4-Rh) from Arabidopsis thaliana | | Descriptor: | BARIUM ION, UPF0678 fatty acid-binding protein-like protein At1g79260, [(1,2,5,6-eta)-cyclooctane-1,2,5,6-tetrayl]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium | | Authors: | Mizohata, E, Fukumoto, K, Onoda, A, Bocola, M, Arlt, M, Inoue, T, Schwaneberg, U, Hayashi, T. | | Deposit date: | 2013-10-08 | | Release date: | 2014-04-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Rhodium Complex-linked Hybrid Biocatalyst: Stereo-controlled Phenylacetylene Polymerization within an Engineered Protein Cavity
CHEMCATCHEM, 2014
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3WHN
 | | Hemerythrin-like domain of DcrH I119H mutant (met) | | Descriptor: | CALCIUM ION, CHLORO DIIRON-OXO MOIETY, Hemerythrin-like domain protein DcrH | | Authors: | Okamoto, Y, Onoda, A, Sugimoto, H, Takano, Y, Hirota, S, Kurtz Jr, D.M, Shiro, Y, Hayashi, T. | | Deposit date: | 2013-08-29 | | Release date: | 2014-02-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | H2O2-dependent substrate oxidation by an engineered diiron site in a bacterial hemerythrin.
Chem.Commun.(Camb.), 50, 2014
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6BHP
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1FL3
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1C4L
 | | SOLUTION STRUCTURE OF AN RNA DUPLEX INCLUDING A C-U BASE-PAIR | | Descriptor: | RNA (5'-R(*CP*CP*UP*GP*CP*GP*UP*CP*G)-3'), RNA (5'-R(*CP*GP*AP*CP*UP*CP*AP*GP*G)-3') | | Authors: | Tanaka, Y, Kojima, C, Yamazaki, T, Kodama, T.S, Yasuno, K, Miyashita, S, Ono, A.M, Ono, A.S, Kainosho, M, Kyogoku, Y. | | Deposit date: | 1999-08-30 | | Release date: | 2000-08-09 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an RNA duplex including a C-U base pair.
Biochemistry, 39, 2000
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1X02
 | | Solution structure of stereo array isotope labeled (SAIL) calmodulin | | Descriptor: | CALCIUM ION, calmodulin | | Authors: | Kainosho, M, Torizawa, T, Terauchi, T, Ono, A.M, Guntert, P. | | Deposit date: | 2005-03-11 | | Release date: | 2006-03-07 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Optimal isotope labelling for NMR protein structure determinations.
Nature, 440, 2006
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5IW0
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7C0D
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7C0C
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5YC5
 | | Crystal structure of human IgG-Fc in complex with aglycan and optimized Fc gamma receptor IIIa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Immunoglobulin gamma-1 heavy chain, ... | | Authors: | Caaveiro, J.M.M, Tamura, H, Tsumoto, K, Kiyoshi, M. | | Deposit date: | 2017-09-06 | | Release date: | 2018-03-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Assessing the Heterogeneity of the Fc-Glycan of a Therapeutic Antibody Using an engineered Fc gamma Receptor IIIa-Immobilized Column.
Sci Rep, 8, 2018
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2D21
 | | NMR Structure of stereo-array isotope labelled (SAIL) maltodextrin-binding protein (MBP) | | Descriptor: | Maltose-binding periplasmic protein | | Authors: | Kainosho, M, Torizawa, T, Iwashita, Y, Terauchi, T, Ono, A.M, Guntert, P. | | Deposit date: | 2005-09-02 | | Release date: | 2006-03-07 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Optimal isotope labelling for NMR protein structure determinations.
Nature, 440, 2006
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1GIP
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7EYR
 | | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF apo | | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION | | Authors: | Tao, H, Mori, T, Abe, I. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
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7EYW
 | | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF with terretonin C | | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION, N-OXALYLGLYCINE, ... | | Authors: | Tao, H, Mori, T, Abe, I. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
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7EYS
 | | Complex structure of SptF with Fe, alpha-ketoglutarate, and andiconin D | | Descriptor: | 2-OXOGLUTARIC ACID, 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andiconin D, ... | | Authors: | Tao, H, Mori, T, Abe, I. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
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7FCB
 | | SptF 9 residues truncated mutant | | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, FE (II) ION, N-OXALYLGLYCINE | | Authors: | Hui, T, Mori, T, Abe, I. | | Deposit date: | 2021-07-14 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
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7EYT
 | | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF with andilesin C and NOG | | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andilesin C, FE (II) ION, ... | | Authors: | Tao, H, Mori, T, Abe, I. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
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7EYU
 | | Fe(II)/(alpha)ketoglutarate-dependent dioxygenase SptF-N65T mutant with andiconin D | | Descriptor: | 2-oxoglutarate/Fe(II)-dependent dioxygenase SptF, Andiconin D, FE (II) ION, ... | | Authors: | Tao, H, Mori, T, Abe, I. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular insights into the unusually promiscuous and catalytically versatile Fe(II)/ alpha-ketoglutarate-dependent oxygenase SptF.
Nat Commun, 13, 2022
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5F3E
 | | Crystal structure of human KDM4A in complex with compound 54a | | Descriptor: | 8-[4-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5F2W
 | | Crystal structure of human KDM4A in complex with compound 16 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5F37
 | | Crystal structure of human KDM4A in complex with compound 58 | | Descriptor: | 1,2-ETHANEDIOL, 3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5F5A
 | | Crystal Structure of human JMJD2D complexed with KDOAM16 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ... | | Authors: | Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-04 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5F39
 | | Crystal structure of human KDM4A in complex with compound 37 | | Descriptor: | 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Lysine-specific demethylase 4A, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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5F32
 | | Crystal structure of human KDM4A in complex with compound 40 | | Descriptor: | 1,2-ETHANEDIOL, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | Deposit date: | 2015-12-02 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
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